3-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide

Systemtic Name: 3-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Openeye Name: 3-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide CAS Name: 3-[3-(2-methoxy-4-pyridinyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]-4-pyridinecarboxamide IUPAC Name: 3-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-3-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]isonicotinamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CC#CC2=C(C=CN=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=NC=CC(=C1)CC#CC2=C(C=CN=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H21N3O4S/c1-30-22-14-17(10-13-25-22)4-3-5-19-16-24-12-11-21(19)23(27)26-15-18-6-8-20(9-7-18)31(2,28)29/h6-14,16H,4,15H2,1-2H3,(H,26,27)